1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol

C29H26O2 — CID 175197904

IUPAC1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol
SMILESCc1ccccc1-c1c(OCC(C)O)cccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H26O2/c1-19-9-3-5-11-22(19)29-26(15-8-16-28(29)31-18-20(2)30)25-14-7-13-24-23-12-6-4-10-21(23)17-27(24)25/h3-16,20,30H,17-18H2,1-2H3
InChIKeyREGCRWGLZMNVKF-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.66
Rot. Bonds5

About 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol

1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol (PubChem CID 175197904) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol
PubChem CID175197904
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol
SMILESCc1ccccc1-c1c(OCC(C)O)cccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H26O2/c1-19-9-3-5-11-22(19)29-26(15-8-16-28(29)31-18-20(2)30)25-14-7-13-24-23-12-6-4-10-21(23)17-27(24)25/h3-16,20,30H,17-18H2,1-2H3
InChIKeyREGCRWGLZMNVKF-UHFFFAOYSA-N
XLogP6.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2-ethenylbut-3-enoxy)-9H-fluorene
CID 68787919
[2-(9H-fluoren-1-yl)phenoxy]boronic acid
CID 69456186
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
9H-fluorene;propane-1,2-diol
CID 158061143
3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
CID 174662912
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol (CID 175197904) is 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol is Cc1ccccc1-c1c(OCC(C)O)cccc1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol?
The InChIKey is REGCRWGLZMNVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c1-19-9-3-5-11-22(19)29-26(15-8-16-28(29)31-18-20(2)30)25-14-7-13-24-23-12-6-4-10-21(23)17-27(24)25/h3-16,20,30H,17-18H2,1-2H3.
What are the key properties of 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol?
1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol has a molecular weight of 406.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9H-fluoren-1-yl)-2-(2-methylphenyl)phenoxy]propan-2-ol is sourced from PubChem (CID 175197904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).