2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol

C14H21ClO2 — CID 116500248

IUPAC2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
SMILESCOCCC(C)C(CO)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-11(7-8-17-2)13(10-16)9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyHTUZGPNOPWBEEM-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.16
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol

2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol (PubChem CID 116500248) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
PubChem CID116500248
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
SMILESCOCCC(C)C(CO)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-11(7-8-17-2)13(10-16)9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyHTUZGPNOPWBEEM-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[2-(chloromethyl)-5-methoxy-3-methylpentyl]benzene
CID 116500298
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol (CID 116500248) is 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol is COCCC(C)C(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol?
The InChIKey is HTUZGPNOPWBEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-11(7-8-17-2)13(10-16)9-12-5-3-4-6-14(12)15/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol?
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol is sourced from PubChem (CID 116500248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).