8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

C17H21ClO2 — CID 79699596

IUPAC8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCOc1cc(C2(O)CC3CC2C2CCCC32)ccc1Cl
InChIInChI=1S/C17H21ClO2/c1-20-16-8-11(5-6-15(16)18)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
InChIKeyLFRFERWZKOKALV-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.99
Rot. Bonds2

About 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol

8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 79699596) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID79699596
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol
SMILESCOc1cc(C2(O)CC3CC2C2CCCC32)ccc1Cl
InChIInChI=1S/C17H21ClO2/c1-20-16-8-11(5-6-15(16)18)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
InChIKeyLFRFERWZKOKALV-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-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol (CID 79699596) is 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is COc1cc(C2(O)CC3CC2C2CCCC32)ccc1Cl.
What is the InChIKey of 8-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is LFRFERWZKOKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c1-20-16-8-11(5-6-15(16)18)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-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol?
8-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 79699596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).