9-methoxy-1,7-dimethylphenanthrene

C17H16O — CID 91163854

IUPAC9-methoxy-1,7-dimethylphenanthrene
SMILESCOc1cc2c(C)cccc2c2ccc(C)cc12
InChIInChI=1S/C17H16O/c1-11-7-8-14-13-6-4-5-12(2)15(13)10-17(18-3)16(14)9-11/h4-10H,1-3H3
InChIKeyZEHUSAJBGJTSFV-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.62
Rot. Bonds1

About 9-methoxy-1,7-dimethylphenanthrene

9-methoxy-1,7-dimethylphenanthrene (PubChem CID 91163854) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 9-methoxy-1,7-dimethylphenanthrene.

Molecular Properties

Compound Name9-methoxy-1,7-dimethylphenanthrene
PubChem CID91163854
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name9-methoxy-1,7-dimethylphenanthrene
SMILESCOc1cc2c(C)cccc2c2ccc(C)cc12
InChIInChI=1S/C17H16O/c1-11-7-8-14-13-6-4-5-12(2)15(13)10-17(18-3)16(14)9-11/h4-10H,1-3H3
InChIKeyZEHUSAJBGJTSFV-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Nabumetone
CID 4409
9-Phenanthrol
CID 10229
2-Methoxynaphthalene
CID 7119
2-Ethoxynaphthalene
CID 7129
1-Methoxynaphthalene
CID 16668
2-(2-Methylpropoxy)naphthalene
CID 16582
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
6-Methoxytetralin
CID 74414
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
Butyl beta-naphthyl ether
CID 82664

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,7-dimethylphenanthrene?
The IUPAC name of 9-methoxy-1,7-dimethylphenanthrene (CID 91163854) is 9-methoxy-1,7-dimethylphenanthrene.
What is the SMILES notation for 9-methoxy-1,7-dimethylphenanthrene?
The canonical SMILES for 9-methoxy-1,7-dimethylphenanthrene is COc1cc2c(C)cccc2c2ccc(C)cc12.
What is the InChIKey of 9-methoxy-1,7-dimethylphenanthrene?
The InChIKey is ZEHUSAJBGJTSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-11-7-8-14-13-6-4-5-12(2)15(13)10-17(18-3)16(14)9-11/h4-10H,1-3H3.
What are the key properties of 9-methoxy-1,7-dimethylphenanthrene?
9-methoxy-1,7-dimethylphenanthrene has a molecular weight of 236.31 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,7-dimethylphenanthrene is sourced from PubChem (CID 91163854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).