1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene

C27H32O3 — CID 633671

IUPAC1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
SMILESCOc1ccc(C(C)(C)CC(C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O3/c1-26(2,20-7-13-23(28-4)14-8-20)19-27(3,21-9-15-24(29-5)16-10-21)22-11-17-25(30-6)18-12-22/h7-18H,19H2,1-6H3
InChIKeyVWFLPCWWXKTYBT-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.39
Rot. Bonds8

About 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene

1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene (PubChem CID 633671) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
PubChem CID633671
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
SMILESCOc1ccc(C(C)(C)CC(C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O3/c1-26(2,20-7-13-23(28-4)14-8-20)19-27(3,21-9-15-24(29-5)16-10-21)22-11-17-25(30-6)18-12-22/h7-18H,19H2,1-6H3
InChIKeyVWFLPCWWXKTYBT-UHFFFAOYSA-N
XLogP6.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(2,4,4,5-tetramethylhexan-2-yl)benzene;molecular hydrogen
CID 169244541
(2S)-2-hydroxy-4-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanal
CID 129383802
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
CID 102373172
CID 102373172
1-methoxy-4-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156763937
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene (CID 633671) is 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene is COc1ccc(C(C)(C)CC(C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene?
The InChIKey is VWFLPCWWXKTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-26(2,20-7-13-23(28-4)14-8-20)19-27(3,21-9-15-24(29-5)16-10-21)22-11-17-25(30-6)18-12-22/h7-18H,19H2,1-6H3.
What are the key properties of 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene?
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene has a molecular weight of 404.55 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene is sourced from PubChem (CID 633671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).