1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol

C31H28Cl2O4 — CID 68792294

IUPAC1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C2(c3ccc(OCC(C)O)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C31H28Cl2O4/c1-19(34)17-36-29-13-11-21(15-27(29)32)31(22-12-14-30(28(33)16-22)37-18-20(2)35)25-9-5-3-7-23(25)24-8-4-6-10-26(24)31/h3-16,19-20,34-35H,17-18H2,1-2H3
InChIKeyAMMVUHISIHLWGV-UHFFFAOYSA-N
MW535.47 g/mol
LogP6.88
Rot. Bonds8

About 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol

1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol (PubChem CID 68792294) has the molecular formula C31H28Cl2O4 and a molecular weight of 535.47 g/mol. Its IUPAC name is 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
PubChem CID68792294
Molecular FormulaC31H28Cl2O4
Molecular Weight535.47 g/mol
Exact Mass534.14
IUPAC Name1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C2(c3ccc(OCC(C)O)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C31H28Cl2O4/c1-19(34)17-36-29-13-11-21(15-27(29)32)31(22-12-14-30(28(33)16-22)37-18-20(2)35)25-9-5-3-7-23(25)24-8-4-6-10-26(24)31/h3-16,19-20,34-35H,17-18H2,1-2H3
InChIKeyAMMVUHISIHLWGV-UHFFFAOYSA-N
XLogP6.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.47
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[9-[4-(2-hydroxypropoxy)-2,5-dimethylphenyl]fluoren-9-yl]-2,5-dimethylphenoxy]propan-2-ol
CID 158218728
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol;oxet-2-one
CID 68788216
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
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
4-[2-[4-[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
CID 70949053
[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium
CID 59270983
[1-[2-chloro-4-[9-[3-chloro-4-[2-(2-methylsulfanylethylsulfanyl)-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-(2-methylsulfanylethylsulfanyl)propan-2-yl] prop-2-enoate
CID 90959934
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol (CID 68792294) is 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol is CC(O)COc1ccc(C2(c3ccc(OCC(C)O)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?
The InChIKey is AMMVUHISIHLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2O4/c1-19(34)17-36-29-13-11-21(15-27(29)32)31(22-12-14-30(28(33)16-22)37-18-20(2)35)25-9-5-3-7-23(25)24-8-4-6-10-26(24)31/h3-16,19-20,34-35H,17-18H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?
1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol has a molecular weight of 535.47 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 68792294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).