6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

C21H24O — CID 142456783

IUPAC6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESc1ccc(COc2ccc3c(c2)C2CCCCC2CC3)cc1
InChIInChI=1S/C21H24O/c1-2-6-16(7-3-1)15-22-19-13-12-18-11-10-17-8-4-5-9-20(17)21(18)14-19/h1-3,6-7,12-14,17,20H,4-5,8-11,15H2
InChIKeyWQCBNRJUFQXAHW-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.49
Rot. Bonds3

About 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (PubChem CID 142456783) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.

Molecular Properties

Compound Name6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
PubChem CID142456783
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESc1ccc(COc2ccc3c(c2)C2CCCCC2CC3)cc1
InChIInChI=1S/C21H24O/c1-2-6-16(7-3-1)15-22-19-13-12-18-11-10-17-8-4-5-9-20(17)21(18)14-19/h1-3,6-7,12-14,17,20H,4-5,8-11,15H2
InChIKeyWQCBNRJUFQXAHW-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
(1S,3R)-3-cyclohexyl-1-methyl-7-phenylmethoxy-1H-isochromen-4-one
CID 170706758
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CID 52952267
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
(1S,4S,4aS,10aR)-1,4-dimethyl-6-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
CID 175012436
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yloxymethyl 4-ethyloctanoate
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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The IUPAC name of 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CID 142456783) is 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.
What is the SMILES notation for 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The canonical SMILES for 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is c1ccc(COc2ccc3c(c2)C2CCCCC2CC3)cc1.
What is the InChIKey of 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The InChIKey is WQCBNRJUFQXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-2-6-16(7-3-1)15-22-19-13-12-18-11-10-17-8-4-5-9-20(17)21(18)14-19/h1-3,6-7,12-14,17,20H,4-5,8-11,15H2.
What are the key properties of 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene has a molecular weight of 292.42 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is sourced from PubChem (CID 142456783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).