3-methoxy-9-methylphenanthren-2-ol

C16H14O2 — CID 10514087

IUPAC3-methoxy-9-methylphenanthren-2-ol
SMILESCOc1cc2c(cc1O)cc(C)c1ccccc12
InChIInChI=1S/C16H14O2/c1-10-7-11-8-15(17)16(18-2)9-14(11)13-6-4-3-5-12(10)13/h3-9,17H,1-2H3
InChIKeyBVHMROIJWIGKBK-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.02
Rot. Bonds1

About 3-methoxy-9-methylphenanthren-2-ol

3-methoxy-9-methylphenanthren-2-ol (PubChem CID 10514087) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methoxy-9-methylphenanthren-2-ol.

Molecular Properties

Compound Name3-methoxy-9-methylphenanthren-2-ol
PubChem CID10514087
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-methoxy-9-methylphenanthren-2-ol
SMILESCOc1cc2c(cc1O)cc(C)c1ccccc12
InChIInChI=1S/C16H14O2/c1-10-7-11-8-15(17)16(18-2)9-14(11)13-6-4-3-5-12(10)13/h3-9,17H,1-2H3
InChIKeyBVHMROIJWIGKBK-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.02
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

ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
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4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
2,11-dimethoxy-8,10-dimethylisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CID 70267784
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
6-methoxychrysene
CID 12935769
5-methoxybenzene-1,2,4-triol
CID 20551665
2-(2-hydroxy-5-methoxyphenyl)-6-methoxy-4-methylquinolin-7-ol
CID 169413526
4-methoxy-2-methylquinolin-8-ol
CID 18321891

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-methylphenanthren-2-ol?
The IUPAC name of 3-methoxy-9-methylphenanthren-2-ol (CID 10514087) is 3-methoxy-9-methylphenanthren-2-ol.
What is the SMILES notation for 3-methoxy-9-methylphenanthren-2-ol?
The canonical SMILES for 3-methoxy-9-methylphenanthren-2-ol is COc1cc2c(cc1O)cc(C)c1ccccc12.
What is the InChIKey of 3-methoxy-9-methylphenanthren-2-ol?
The InChIKey is BVHMROIJWIGKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-10-7-11-8-15(17)16(18-2)9-14(11)13-6-4-3-5-12(10)13/h3-9,17H,1-2H3.
What are the key properties of 3-methoxy-9-methylphenanthren-2-ol?
3-methoxy-9-methylphenanthren-2-ol has a molecular weight of 238.29 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-methylphenanthren-2-ol is sourced from PubChem (CID 10514087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).