2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol

C14H21ClO2 — CID 103018095

IUPAC2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
SMILESCOC(C)(C)CCC(CO)c1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-14(2,17-3)9-8-11(10-16)12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyPWISBKNNJMBOGB-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.62
Rot. Bonds6

About 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol

2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol (PubChem CID 103018095) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
PubChem CID103018095
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
SMILESCOC(C)(C)CCC(CO)c1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-14(2,17-3)9-8-11(10-16)12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3
InChIKeyPWISBKNNJMBOGB-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-5-methoxy-N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 103036937
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035782
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706506
2-(2-chlorophenyl)decan-1-ol;methanesulfonic acid
CID 88842519
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol (CID 103018095) is 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol is COC(C)(C)CCC(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol?
The InChIKey is PWISBKNNJMBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-14(2,17-3)9-8-11(10-16)12-6-4-5-7-13(12)15/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol?
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol is sourced from PubChem (CID 103018095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).