10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol

C17H22O2 — CID 561678

IUPAC10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol
SMILESOC1CC2CC3CC(OCc4ccccc4)C2CC13
InChIInChI=1S/C17H22O2/c18-16-7-12-6-13-8-17(15(12)9-14(13)16)19-10-11-4-2-1-3-5-11/h1-5,12-18H,6-10H2
InChIKeyMPEGYPSKWCAWTN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.00
Rot. Bonds3

About 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol

10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol (PubChem CID 561678) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol.

Molecular Properties

Compound Name10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol
PubChem CID561678
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol
SMILESOC1CC2CC3CC(OCc4ccccc4)C2CC13
InChIInChI=1S/C17H22O2/c18-16-7-12-6-13-8-17(15(12)9-14(13)16)19-10-11-4-2-1-3-5-11/h1-5,12-18H,6-10H2
InChIKeyMPEGYPSKWCAWTN-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol?
The IUPAC name of 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol (CID 561678) is 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol.
What is the SMILES notation for 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol?
The canonical SMILES for 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol is OC1CC2CC3CC(OCc4ccccc4)C2CC13.
What is the InChIKey of 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol?
The InChIKey is MPEGYPSKWCAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16-7-12-6-13-8-17(15(12)9-14(13)16)19-10-11-4-2-1-3-5-11/h1-5,12-18H,6-10H2.
What are the key properties of 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol?
10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol has a molecular weight of 258.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxytricyclo[4.4.0.03,8]decan-4-ol is sourced from PubChem (CID 561678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).