[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol

C16H17ClO2 — CID 61482150

IUPAC[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-8,18H,9-10H2,1-2H3
InChIKeyBMXZZQUNULVLSK-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.03
Rot. Bonds4

About [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol

[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol (PubChem CID 61482150) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
PubChem CID61482150
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-8,18H,9-10H2,1-2H3
InChIKeyBMXZZQUNULVLSK-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
[2-[(2,5-dichlorophenyl)methoxy]-5-methylphenyl]boronic acid
CID 65316782
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol (CID 61482150) is [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol is Cc1ccc(C)c(COc2ccc(Cl)cc2CO)c1.
What is the InChIKey of [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is BMXZZQUNULVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(17)8-13(16)9-18/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol?
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 61482150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).