1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane

C30H42O2 — CID 163527973

IUPAC1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
SMILESCOc1c(-c2cccc(C3CCCCCC3C)c2OC)cccc1C1CCCCCC1C
InChIInChI=1S/C30H42O2/c1-21-13-7-5-9-15-23(21)25-17-11-19-27(29(25)31-3)28-20-12-18-26(30(28)32-4)24-16-10-6-8-14-22(24)2/h11-12,17-24H,5-10,13-16H2,1-4H3
InChIKeyDQKVKCWIRYCFAH-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.74
Rot. Bonds5

About 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane

1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane (PubChem CID 163527973) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane.

Molecular Properties

Compound Name1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
PubChem CID163527973
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
SMILESCOc1c(-c2cccc(C3CCCCCC3C)c2OC)cccc1C1CCCCCC1C
InChIInChI=1S/C30H42O2/c1-21-13-7-5-9-15-23(21)25-17-11-19-27(29(25)31-3)28-20-12-18-26(30(28)32-4)24-16-10-6-8-14-22(24)2/h11-12,17-24H,5-10,13-16H2,1-4H3
InChIKeyDQKVKCWIRYCFAH-UHFFFAOYSA-N
XLogP8.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
CID 54374434
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
CID 103434249
1-cyclohexyl-3-ethyl-2-methoxybenzene
CID 70191110
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 84683089
1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
CID 161276937
5-methyl-2-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449672
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
CID 124645669
[4-(2-fluorophenyl)-2-methoxy-5-(2-methylcyclopentyl)phenyl]methanol
CID 68796606

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane?
The IUPAC name of 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane (CID 163527973) is 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane.
What is the SMILES notation for 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane?
The canonical SMILES for 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane is COc1c(-c2cccc(C3CCCCCC3C)c2OC)cccc1C1CCCCCC1C.
What is the InChIKey of 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane?
The InChIKey is DQKVKCWIRYCFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-21-13-7-5-9-15-23(21)25-17-11-19-27(29(25)31-3)28-20-12-18-26(30(28)32-4)24-16-10-6-8-14-22(24)2/h11-12,17-24H,5-10,13-16H2,1-4H3.
What are the key properties of 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane?
1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane has a molecular weight of 434.66 g/mol, XLogP of 8.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane is sourced from PubChem (CID 163527973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).