8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

C17H21ClO2 — CID 62788709

IUPAC8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCOc1ccc(Cl)cc1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C17H21ClO2/c1-20-16-6-5-11(18)8-15(16)17(19)9-10-7-14(17)13-4-2-3-12(10)13/h5-6,8,10,12-14,19H,2-4,7,9H2,1H3
InChIKeyXBFJUSMKJOEOKG-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.99
Rot. Bonds2

About 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 62788709) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID62788709
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCOc1ccc(Cl)cc1C1(O)CC2CC1C1CCCC21
InChIInChI=1S/C17H21ClO2/c1-20-16-6-5-11(18)8-15(16)17(19)9-10-7-14(17)13-4-2-3-12(10)13/h5-6,8,10,12-14,19H,2-4,7,9H2,1H3
InChIKeyXBFJUSMKJOEOKG-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (CID 62788709) is 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is COc1ccc(Cl)cc1C1(O)CC2CC1C1CCCC21.
What is the InChIKey of 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is XBFJUSMKJOEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c1-20-16-6-5-11(18)8-15(16)17(19)9-10-7-14(17)13-4-2-3-12(10)13/h5-6,8,10,12-14,19H,2-4,7,9H2,1H3.
What are the key properties of 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 292.81 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 62788709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).