4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol

C15H21ClO3 — CID 65148883

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
SMILESCCC1CC(O)(Cc2cc(Cl)ccc2OC)CCO1
InChIInChI=1S/C15H21ClO3/c1-3-13-10-15(17,6-7-19-13)9-11-8-12(16)4-5-14(11)18-2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3
InChIKeyKDVNRMMHJSMTLL-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.21
Rot. Bonds4

About 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol

4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol (PubChem CID 65148883) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
PubChem CID65148883
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
SMILESCCC1CC(O)(Cc2cc(Cl)ccc2OC)CCO1
InChIInChI=1S/C15H21ClO3/c1-3-13-10-15(17,6-7-19-13)9-11-8-12(16)4-5-14(11)18-2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3
InChIKeyKDVNRMMHJSMTLL-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dichlorophenyl)methyl]-2-ethyloxan-4-ol
CID 65149416
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510368
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116363
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol (CID 65148883) is 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol is CCC1CC(O)(Cc2cc(Cl)ccc2OC)CCO1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol?
The InChIKey is KDVNRMMHJSMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-3-13-10-15(17,6-7-19-13)9-11-8-12(16)4-5-14(11)18-2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol?
4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol has a molecular weight of 284.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol is sourced from PubChem (CID 65148883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).