(3-methoxyphenyl)-phenanthren-9-ylmethanol

C22H18O2 — CID 72942494

IUPAC(3-methoxyphenyl)-phenanthren-9-ylmethanol
SMILESCOc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H18O2/c1-24-17-9-6-8-16(13-17)22(23)21-14-15-7-2-3-10-18(15)19-11-4-5-12-20(19)21/h2-14,22-23H,1H3
InChIKeyZNVIKOXIUZHPPZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.08
Rot. Bonds3

About (3-methoxyphenyl)-phenanthren-9-ylmethanol

(3-methoxyphenyl)-phenanthren-9-ylmethanol (PubChem CID 72942494) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3-methoxyphenyl)-phenanthren-9-ylmethanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-phenanthren-9-ylmethanol
PubChem CID72942494
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(3-methoxyphenyl)-phenanthren-9-ylmethanol
SMILESCOc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C22H18O2/c1-24-17-9-6-8-16(13-17)22(23)21-14-15-7-2-3-10-18(15)19-11-4-5-12-20(19)21/h2-14,22-23H,1H3
InChIKeyZNVIKOXIUZHPPZ-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol
CID 169101097
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-phenanthren-9-ylmethanol?
The IUPAC name of (3-methoxyphenyl)-phenanthren-9-ylmethanol (CID 72942494) is (3-methoxyphenyl)-phenanthren-9-ylmethanol.
What is the SMILES notation for (3-methoxyphenyl)-phenanthren-9-ylmethanol?
The canonical SMILES for (3-methoxyphenyl)-phenanthren-9-ylmethanol is COc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)-phenanthren-9-ylmethanol?
The InChIKey is ZNVIKOXIUZHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-24-17-9-6-8-16(13-17)22(23)21-14-15-7-2-3-10-18(15)19-11-4-5-12-20(19)21/h2-14,22-23H,1H3.
What are the key properties of (3-methoxyphenyl)-phenanthren-9-ylmethanol?
(3-methoxyphenyl)-phenanthren-9-ylmethanol has a molecular weight of 314.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-phenanthren-9-ylmethanol is sourced from PubChem (CID 72942494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).