4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol

C16H23ClO2 — CID 106866348

IUPAC4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(Cc2ccc(C)cc2Cl)CCO1
InChIInChI=1S/C16H23ClO2/c1-4-15(3)11-16(18,7-8-19-15)10-13-6-5-12(2)9-14(13)17/h5-6,9,18H,4,7-8,10-11H2,1-3H3
InChIKeyQLCGHSIUJAFJHG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.90
Rot. Bonds3

About 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol

4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol (PubChem CID 106866348) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
PubChem CID106866348
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(Cc2ccc(C)cc2Cl)CCO1
InChIInChI=1S/C16H23ClO2/c1-4-15(3)11-16(18,7-8-19-15)10-13-6-5-12(2)9-14(13)17/h5-6,9,18H,4,7-8,10-11H2,1-3H3
InChIKeyQLCGHSIUJAFJHG-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 112653071
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
CID 65149267
2-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 106866083
3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
4-[(2,4-dichlorophenyl)methyl]-2-ethyloxan-4-ol
CID 65149416
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The IUPAC name of 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol (CID 106866348) is 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol.
What is the SMILES notation for 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The canonical SMILES for 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol is CCC1(C)CC(O)(Cc2ccc(C)cc2Cl)CCO1.
What is the InChIKey of 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The InChIKey is QLCGHSIUJAFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-4-15(3)11-16(18,7-8-19-15)10-13-6-5-12(2)9-14(13)17/h5-6,9,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol has a molecular weight of 282.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol is sourced from PubChem (CID 106866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).