2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene

C26H38O — CID 176917079

IUPAC2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cccc1C(C)CCCc1c(C)cc(C(C)C)cc1C
InChIInChI=1S/C26H38O/c1-17(2)22-15-20(6)24(21(7)16-22)13-9-11-19(5)25-14-10-12-23(18(3)4)26(25)27-8/h10,12,14-19H,9,11,13H2,1-8H3
InChIKeyRRXLCJSVYZJQCF-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.69
Rot. Bonds8

About 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene

2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene (PubChem CID 176917079) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene
PubChem CID176917079
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cccc1C(C)CCCc1c(C)cc(C(C)C)cc1C
InChIInChI=1S/C26H38O/c1-17(2)22-15-20(6)24(21(7)16-22)13-9-11-19(5)25-14-10-12-23(18(3)4)26(25)27-8/h10,12,14-19H,9,11,13H2,1-8H3
InChIKeyRRXLCJSVYZJQCF-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
O-[(2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117299206
1,3-dimethyl-5-(4-phenylpentyl)-2-[3-(3,4,5-trimethylphenyl)propyl]benzene
CID 21053128
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
1-[(1S)-1-bromoethyl]-3-[(1R)-1-bromoethyl]-2-methoxybenzene
CID 676972
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
4-butan-2-yl-2-fluoro-1-methoxybenzene;1-fluoro-2-methoxy-3-propan-2-ylbenzene
CID 171630666

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene?
The IUPAC name of 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene (CID 176917079) is 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene is COc1c(C(C)C)cccc1C(C)CCCc1c(C)cc(C(C)C)cc1C.
What is the InChIKey of 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene?
The InChIKey is RRXLCJSVYZJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-17(2)22-15-20(6)24(21(7)16-22)13-9-11-19(5)25-14-10-12-23(18(3)4)26(25)27-8/h10,12,14-19H,9,11,13H2,1-8H3.
What are the key properties of 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene?
2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene has a molecular weight of 366.59 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 176917079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).