5-methoxybenzo[c]phenanthrene

C19H14O — CID 621003

IUPAC5-methoxybenzo[c]phenanthrene
SMILESCOc1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C19H14O/c1-20-18-12-14-11-10-13-6-2-3-7-15(13)19(14)17-9-5-4-8-16(17)18/h2-12H,1H3
InChIKeyHBFMPNFMVMXKIR-UHFFFAOYSA-N
MW258.32 g/mol
LogP5.15
Rot. Bonds1

About 5-methoxybenzo[c]phenanthrene

5-methoxybenzo[c]phenanthrene (PubChem CID 621003) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxybenzo[c]phenanthrene.

Molecular Properties

Compound Name5-methoxybenzo[c]phenanthrene
PubChem CID621003
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name5-methoxybenzo[c]phenanthrene
SMILESCOc1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C19H14O/c1-20-18-12-14-11-10-13-6-2-3-7-15(13)19(14)17-9-5-4-8-16(17)18/h2-12H,1H3
InChIKeyHBFMPNFMVMXKIR-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.15
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

6-methoxychrysene
CID 12935769
4-methoxy-2-methylphenanthrene
CID 11775729
4-methoxyphenanthren-2-ol
CID 139248183
1,11-dimethoxychrysene
CID 175599943
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
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
1,2,3,8-tetramethoxynaphthalene
CID 91328449
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
10-methoxyphenanthro[3,4-g]chromen-12-one
CID 101416332
(3,4-dimethoxyphenanthren-9-yl) hydrogen carbonate
CID 88743506
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
9,10-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 122366804

Frequently Asked Questions

What is the IUPAC name of 5-methoxybenzo[c]phenanthrene?
The IUPAC name of 5-methoxybenzo[c]phenanthrene (CID 621003) is 5-methoxybenzo[c]phenanthrene.
What is the SMILES notation for 5-methoxybenzo[c]phenanthrene?
The canonical SMILES for 5-methoxybenzo[c]phenanthrene is COc1cc2ccc3ccccc3c2c2ccccc12.
What is the InChIKey of 5-methoxybenzo[c]phenanthrene?
The InChIKey is HBFMPNFMVMXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-20-18-12-14-11-10-13-6-2-3-7-15(13)19(14)17-9-5-4-8-16(17)18/h2-12H,1H3.
What are the key properties of 5-methoxybenzo[c]phenanthrene?
5-methoxybenzo[c]phenanthrene has a molecular weight of 258.32 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxybenzo[c]phenanthrene is sourced from PubChem (CID 621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).