1-(3-methylbutyl)-3-(2-phenylethyl)benzene

C19H24 — CID 170689671

IUPAC1-(3-methylbutyl)-3-(2-phenylethyl)benzene
SMILESCC(C)CCc1cccc(CCc2ccccc2)c1
InChIInChI=1S/C19H24/c1-16(2)11-12-18-9-6-10-19(15-18)14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRIGRDRRRONSXCG-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.06
Rot. Bonds6

About 1-(3-methylbutyl)-3-(2-phenylethyl)benzene

1-(3-methylbutyl)-3-(2-phenylethyl)benzene (PubChem CID 170689671) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-phenylethyl)benzene
PubChem CID170689671
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-(3-methylbutyl)-3-(2-phenylethyl)benzene
SMILESCC(C)CCc1cccc(CCc2ccccc2)c1
InChIInChI=1S/C19H24/c1-16(2)11-12-18-9-6-10-19(15-18)14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3
InChIKeyRIGRDRRRONSXCG-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
ethene;3-methylbutylbenzene
CID 145421013
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
(2R)-4-phenylbutane-2-thiol
CID 28974861

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-phenylethyl)benzene?
The IUPAC name of 1-(3-methylbutyl)-3-(2-phenylethyl)benzene (CID 170689671) is 1-(3-methylbutyl)-3-(2-phenylethyl)benzene.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-phenylethyl)benzene?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-phenylethyl)benzene is CC(C)CCc1cccc(CCc2ccccc2)c1.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-phenylethyl)benzene?
The InChIKey is RIGRDRRRONSXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-16(2)11-12-18-9-6-10-19(15-18)14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-3-(2-phenylethyl)benzene?
1-(3-methylbutyl)-3-(2-phenylethyl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-phenylethyl)benzene is sourced from PubChem (CID 170689671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).