1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene

C22H20O — CID 11001074

IUPAC1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene
SMILESCOc1ccc(C2CC(c3ccc(C)cc3)=C3C=CC=C32)cc1
InChIInChI=1S/C22H20O/c1-15-6-8-16(9-7-15)21-14-22(20-5-3-4-19(20)21)17-10-12-18(23-2)13-11-17/h3-13,22H,14H2,1-2H3
InChIKeyFDDCIYOCLODZTP-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.44
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene

1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene (PubChem CID 11001074) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene
PubChem CID11001074
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene
SMILESCOc1ccc(C2CC(c3ccc(C)cc3)=C3C=CC=C32)cc1
InChIInChI=1S/C22H20O/c1-15-6-8-16(9-7-15)21-14-22(20-5-3-4-19(20)21)17-10-12-18(23-2)13-11-17/h3-13,22H,14H2,1-2H3
InChIKeyFDDCIYOCLODZTP-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-[3-methyl-2-(4-methylphenyl)cyclobutyl]benzene
CID 132838745
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1-methoxy-4-methylbenzene;propane
CID 142064987
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928
(7S)-7-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055221

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene (CID 11001074) is 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene is COc1ccc(C2CC(c3ccc(C)cc3)=C3C=CC=C32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene?
The InChIKey is FDDCIYOCLODZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-15-6-8-16(9-7-15)21-14-22(20-5-3-4-19(20)21)17-10-12-18(23-2)13-11-17/h3-13,22H,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene?
1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene has a molecular weight of 300.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydropentalene is sourced from PubChem (CID 11001074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).