9-(4-methylphenyl)-1,10a-dihydrophenanthrene

C21H18 — CID 143963647

IUPAC9-(4-methylphenyl)-1,10a-dihydrophenanthrene
SMILESCc1ccc(C2=CC3CC=CC=C3c3ccccc32)cc1
InChIInChI=1S/C21H18/c1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-5,7-14,17H,6H2,1H3
InChIKeyBXDVIOYIOILKLL-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.40
Rot. Bonds1

About 9-(4-methylphenyl)-1,10a-dihydrophenanthrene

9-(4-methylphenyl)-1,10a-dihydrophenanthrene (PubChem CID 143963647) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 9-(4-methylphenyl)-1,10a-dihydrophenanthrene.

Molecular Properties

Compound Name9-(4-methylphenyl)-1,10a-dihydrophenanthrene
PubChem CID143963647
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name9-(4-methylphenyl)-1,10a-dihydrophenanthrene
SMILESCc1ccc(C2=CC3CC=CC=C3c3ccccc32)cc1
InChIInChI=1S/C21H18/c1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-5,7-14,17H,6H2,1H3
InChIKeyBXDVIOYIOILKLL-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
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1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
10-bromo-1,12b-dihydrotriphenylene
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4,4a-dihydrothioxanthen-9-one
CID 71107851
1,9,10,10a-tetrahydrophenanthren-9-amine
CID 70670077
(3Z,5Z)-2-methylidene-3-(4-methylphenyl)-7H-1-benzoxonine
CID 144660519
1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene
CID 143254397
1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane
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2-(2,4-dimethylphenyl)-1-[5-[2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]pentyl]pyridin-1-ium
CID 170142446
5-methyl-3aH-cyclopenta[a]naphthalene
CID 20785931

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-1,10a-dihydrophenanthrene?
The IUPAC name of 9-(4-methylphenyl)-1,10a-dihydrophenanthrene (CID 143963647) is 9-(4-methylphenyl)-1,10a-dihydrophenanthrene.
What is the SMILES notation for 9-(4-methylphenyl)-1,10a-dihydrophenanthrene?
The canonical SMILES for 9-(4-methylphenyl)-1,10a-dihydrophenanthrene is Cc1ccc(C2=CC3CC=CC=C3c3ccccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-1,10a-dihydrophenanthrene?
The InChIKey is BXDVIOYIOILKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-5,7-14,17H,6H2,1H3.
What are the key properties of 9-(4-methylphenyl)-1,10a-dihydrophenanthrene?
9-(4-methylphenyl)-1,10a-dihydrophenanthrene has a molecular weight of 270.38 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-1,10a-dihydrophenanthrene is sourced from PubChem (CID 143963647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).