[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol

C22H18O2 — CID 88900775

IUPAC[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
SMILESOCc1cc(CO)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H18O2/c23-13-15-9-16(14-24)11-18(10-15)22-12-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-12,23-24H,13-14H2
InChIKeySFTMZHWNKXUDSK-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.64
Rot. Bonds3

About [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol

[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol (PubChem CID 88900775) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
PubChem CID88900775
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
SMILESOCc1cc(CO)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H18O2/c23-13-15-9-16(14-24)11-18(10-15)22-12-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-12,23-24H,13-14H2
InChIKeySFTMZHWNKXUDSK-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
CID 89295941
9-(4-iodophenyl)phenanthrene
CID 89083753
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-naphthalen-1-ylphenanthrene
CID 20606742
CID 59629155
CID 59629155
4-phenanthren-9-ylbenzonitrile
CID 89027020
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol (CID 88900775) is [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol is OCc1cc(CO)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol?
The InChIKey is SFTMZHWNKXUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-13-15-9-16(14-24)11-18(10-15)22-12-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-12,23-24H,13-14H2.
What are the key properties of [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol?
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol has a molecular weight of 314.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol is sourced from PubChem (CID 88900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).