1-chloro-3-methyl-2-phenylmethoxybenzene

C14H13ClO — CID 71366901

IUPAC1-chloro-3-methyl-2-phenylmethoxybenzene
SMILESCc1cccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H13ClO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyONXYOXBUHWPFDU-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.23
Rot. Bonds3

About 1-chloro-3-methyl-2-phenylmethoxybenzene

1-chloro-3-methyl-2-phenylmethoxybenzene (PubChem CID 71366901) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-phenylmethoxybenzene
PubChem CID71366901
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-chloro-3-methyl-2-phenylmethoxybenzene
SMILESCc1cccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H13ClO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyONXYOXBUHWPFDU-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
3-chloro-N-methyl-2-phenylmethoxyaniline
CID 144838514
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
CID 54377067
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-chloro-3-methyl-2-phenylmethoxybenzene (CID 71366901) is 1-chloro-3-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-chloro-3-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-chloro-3-methyl-2-phenylmethoxybenzene is Cc1cccc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-chloro-3-methyl-2-phenylmethoxybenzene?
The InChIKey is ONXYOXBUHWPFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-3-methyl-2-phenylmethoxybenzene?
1-chloro-3-methyl-2-phenylmethoxybenzene has a molecular weight of 232.71 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 71366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).