4-methoxy-2-methylphenanthrene

C16H14O — CID 11775729

IUPAC4-methoxy-2-methylphenanthrene
SMILESCOc1cc(C)cc2ccc3ccccc3c12
InChIInChI=1S/C16H14O/c1-11-9-13-8-7-12-5-3-4-6-14(12)16(13)15(10-11)17-2/h3-10H,1-2H3
InChIKeyKKNWVJBBIZLMBZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.31
Rot. Bonds1

About 4-methoxy-2-methylphenanthrene

4-methoxy-2-methylphenanthrene (PubChem CID 11775729) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-2-methylphenanthrene.

Molecular Properties

Compound Name4-methoxy-2-methylphenanthrene
PubChem CID11775729
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-methoxy-2-methylphenanthrene
SMILESCOc1cc(C)cc2ccc3ccccc3c12
InChIInChI=1S/C16H14O/c1-11-9-13-8-7-12-5-3-4-6-14(12)16(13)15(10-11)17-2/h3-10H,1-2H3
InChIKeyKKNWVJBBIZLMBZ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.31
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

4-methoxyphenanthren-2-ol
CID 139248183
5-methoxybenzo[c]phenanthrene
CID 621003
1,11-dimethoxychrysene
CID 175599943
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
6-methoxychrysene
CID 12935769
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
1-methoxy-3-(4-methylphenyl)naphthalene
CID 59399525
(3-methylnaphthalen-1-yl)oxyboronic acid
CID 150524774
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
2-methoxy-1-(trimethyl-λ4-selanyl)naphthalene
CID 175262224

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylphenanthrene?
The IUPAC name of 4-methoxy-2-methylphenanthrene (CID 11775729) is 4-methoxy-2-methylphenanthrene.
What is the SMILES notation for 4-methoxy-2-methylphenanthrene?
The canonical SMILES for 4-methoxy-2-methylphenanthrene is COc1cc(C)cc2ccc3ccccc3c12.
What is the InChIKey of 4-methoxy-2-methylphenanthrene?
The InChIKey is KKNWVJBBIZLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11-9-13-8-7-12-5-3-4-6-14(12)16(13)15(10-11)17-2/h3-10H,1-2H3.
What are the key properties of 4-methoxy-2-methylphenanthrene?
4-methoxy-2-methylphenanthrene has a molecular weight of 222.29 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylphenanthrene is sourced from PubChem (CID 11775729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).