4-chloro-2-methyl-1-phenylmethoxybenzene

C14H13ClO — CID 18735225

IUPAC4-chloro-2-methyl-1-phenylmethoxybenzene
SMILESCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H13ClO/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyTXNWERIEJVSHIC-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.23
Rot. Bonds3

About 4-chloro-2-methyl-1-phenylmethoxybenzene

4-chloro-2-methyl-1-phenylmethoxybenzene (PubChem CID 18735225) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-phenylmethoxybenzene
PubChem CID18735225
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name4-chloro-2-methyl-1-phenylmethoxybenzene
SMILESCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C14H13ClO/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyTXNWERIEJVSHIC-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-phenylmethoxybenzene?
The IUPAC name of 4-chloro-2-methyl-1-phenylmethoxybenzene (CID 18735225) is 4-chloro-2-methyl-1-phenylmethoxybenzene.
What is the SMILES notation for 4-chloro-2-methyl-1-phenylmethoxybenzene?
The canonical SMILES for 4-chloro-2-methyl-1-phenylmethoxybenzene is Cc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 4-chloro-2-methyl-1-phenylmethoxybenzene?
The InChIKey is TXNWERIEJVSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-11-9-13(15)7-8-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-2-methyl-1-phenylmethoxybenzene?
4-chloro-2-methyl-1-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 4-chloro-2-methyl-1-phenylmethoxybenzene is sourced from PubChem (CID 18735225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).