2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile

C18H19NO — CID 175670294

IUPAC2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile
SMILESCOc1ccc(-c2cccc(C(C)C)c2)cc1CC#N
InChIInChI=1S/C18H19NO/c1-13(2)14-5-4-6-15(11-14)16-7-8-18(20-3)17(12-16)9-10-19/h4-8,11-13H,9H2,1-3H3
InChIKeyLAKRHNUGEBLFTB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.55
Rot. Bonds4

About 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile

2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile (PubChem CID 175670294) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile
PubChem CID175670294
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile
SMILESCOc1ccc(-c2cccc(C(C)C)c2)cc1CC#N
InChIInChI=1S/C18H19NO/c1-13(2)14-5-4-6-15(11-14)16-7-8-18(20-3)17(12-16)9-10-19/h4-8,11-13H,9H2,1-3H3
InChIKeyLAKRHNUGEBLFTB-UHFFFAOYSA-N
XLogP4.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670261
2-[5-(3-chloro-2-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670273
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
4-methoxy-6-propan-2-ylazulene
CID 56627743
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
(2S)-2-amino-2-[3-(cyanomethyl)-4-methoxyphenyl]acetic acid
CID 66512345
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
2-(3,4-dimethoxy-2-propan-2-ylphenyl)acetonitrile
CID 19838196
2-[5-[(dimethylamino)methyl]-2-methoxyphenyl]acetonitrile
CID 84777922
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile (CID 175670294) is 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile is COc1ccc(-c2cccc(C(C)C)c2)cc1CC#N.
What is the InChIKey of 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile?
The InChIKey is LAKRHNUGEBLFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13(2)14-5-4-6-15(11-14)16-7-8-18(20-3)17(12-16)9-10-19/h4-8,11-13H,9H2,1-3H3.
What are the key properties of 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile?
2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile is sourced from PubChem (CID 175670294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).