1-(3-methylbutyl)-3-phenylbenzene

C17H20 — CID 21063782

IUPAC1-(3-methylbutyl)-3-phenylbenzene
SMILESCC(C)CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H20/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyRLKLAKUYZSNXBP-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.94
Rot. Bonds4

About 1-(3-methylbutyl)-3-phenylbenzene

1-(3-methylbutyl)-3-phenylbenzene (PubChem CID 21063782) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-phenylbenzene
PubChem CID21063782
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-(3-methylbutyl)-3-phenylbenzene
SMILESCC(C)CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H20/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyRLKLAKUYZSNXBP-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
1-phenyl-3-propylbenzene
CID 4110465
ethene;3-methylbutylbenzene
CID 145421013
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
4-[3-methyl-4-[3-[4-(3-methylbutyl)phenyl]phenyl]butyl]phenol
CID 135182549
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1-ethyl-3-phenylbenzene;propane
CID 145466525
3-(3-phenylphenyl)propan-1-amine
CID 68886504

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-phenylbenzene?
The IUPAC name of 1-(3-methylbutyl)-3-phenylbenzene (CID 21063782) is 1-(3-methylbutyl)-3-phenylbenzene.
What is the SMILES notation for 1-(3-methylbutyl)-3-phenylbenzene?
The canonical SMILES for 1-(3-methylbutyl)-3-phenylbenzene is CC(C)CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-methylbutyl)-3-phenylbenzene?
The InChIKey is RLKLAKUYZSNXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-3-phenylbenzene?
1-(3-methylbutyl)-3-phenylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-phenylbenzene is sourced from PubChem (CID 21063782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).