8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol

C17H23ClO2 — CID 114819278

IUPAC8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
SMILESCOc1cc(C2(O)CCC3(CCCC3)CC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-20-15-12-13(4-5-14(15)18)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyPUQIWZMVEZHPAG-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.67
Rot. Bonds2

About 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol

8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol (PubChem CID 114819278) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
PubChem CID114819278
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
SMILESCOc1cc(C2(O)CCC3(CCCC3)CC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-20-15-12-13(4-5-14(15)18)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyPUQIWZMVEZHPAG-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
CID 79700558
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
CID 79711459
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
2-chloro-5-(1-hydroxycyclopropyl)phenol
CID 84769519
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
1-[4-chloro-3-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117117417
1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297706
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol (CID 114819278) is 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol is COc1cc(C2(O)CCC3(CCCC3)CC2)ccc1Cl.
What is the InChIKey of 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol?
The InChIKey is PUQIWZMVEZHPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-20-15-12-13(4-5-14(15)18)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3.
What are the key properties of 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol?
8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol has a molecular weight of 294.82 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).