1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol

C70H76O8 — CID 158218728

IUPAC1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol
SMILESCc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O.Cc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O
InChIInChI=1S/2C35H38O4/c2*1-21-17-33(38-19-25(5)36)23(3)15-31(21)35(32-16-24(4)34(18-22(32)2)39-20-26(6)37)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h2*7-18,25-26,36-37H,19-20H2,1-6H3
InChIKeyGCZFWYZSAHZCBQ-UHFFFAOYSA-N
MW1045.37 g/mol
LogP13.61
Rot. Bonds16

About 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol

1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol (PubChem CID 158218728) has the molecular formula C70H76O8 and a molecular weight of 1045.37 g/mol. Its IUPAC name is 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol
PubChem CID158218728
Molecular FormulaC70H76O8
Molecular Weight1045.37 g/mol
Exact Mass1044.55
IUPAC Name1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol
SMILESCc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O.Cc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O
InChIInChI=1S/2C35H38O4/c2*1-21-17-33(38-19-25(5)36)23(3)15-31(21)35(32-16-24(4)34(18-22(32)2)39-20-26(6)37)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h2*7-18,25-26,36-37H,19-20H2,1-6H3
InChIKeyGCZFWYZSAHZCBQ-UHFFFAOYSA-N
XLogP13.61
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.37
LogP ≤ 513.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol with MolForge

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Related Compounds

1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 68792294
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
CID 160930639
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
CID 68788216
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
CID 106933183
1-[4-[9-[4-(2-prop-2-enoyloxypropoxy)naphthalen-1-yl]fluoren-9-yl]naphthalen-1-yl]oxypropan-2-yl prop-2-enoate
CID 174977604
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol?
The IUPAC name of 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol (CID 158218728) is 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol is Cc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O.Cc1cc(C2(c3cc(C)c(OCC(C)O)cc3C)c3ccccc3-c3ccccc32)c(C)cc1OCC(C)O.
What is the InChIKey of 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol?
The InChIKey is GCZFWYZSAHZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H38O4/c2*1-21-17-33(38-19-25(5)36)23(3)15-31(21)35(32-16-24(4)34(18-22(32)2)39-20-26(6)37)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h2*7-18,25-26,36-37H,19-20H2,1-6H3.
What are the key properties of 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol?
1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol has a molecular weight of 1045.37 g/mol, XLogP of 13.61, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol is sourced from PubChem (CID 158218728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).