1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid

C30H42O2 — CID 175144029

IUPAC1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2)c(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1
InChIInChI=1S/C30H42O2/c1-19(2)25-14-13-23(27(20(3)4)28(25)21(5)6)11-12-24-18-22(7)10-15-26(24)30(29(31)32)16-8-9-17-30/h10,13-15,18-21H,8-9,11-12,16-17H2,1-7H3,(H,31,32)
InChIKeyPWHGULLSWGJFGW-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.05
Rot. Bonds8

About 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid

1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid (PubChem CID 175144029) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid
PubChem CID175144029
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCCC2)c(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1
InChIInChI=1S/C30H42O2/c1-19(2)25-14-13-23(27(20(3)4)28(25)21(5)6)11-12-24-18-22(7)10-15-26(24)30(29(31)32)16-8-9-17-30/h10,13-15,18-21H,8-9,11-12,16-17H2,1-7H3,(H,31,32)
InChIKeyPWHGULLSWGJFGW-UHFFFAOYSA-N
XLogP8.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
CID 175156186
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117410609
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
2-methyl-2-[(5-methyl-2-propan-2-ylphenyl)methyl]propanedioic acid
CID 101075758
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid (CID 175144029) is 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCCC2)c(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1.
What is the InChIKey of 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is PWHGULLSWGJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-19(2)25-14-13-23(27(20(3)4)28(25)21(5)6)11-12-24-18-22(7)10-15-26(24)30(29(31)32)16-8-9-17-30/h10,13-15,18-21H,8-9,11-12,16-17H2,1-7H3,(H,31,32).
What are the key properties of 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid?
1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 434.66 g/mol, XLogP of 8.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 175144029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).