5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C16H18O2 — CID 83173134

IUPAC5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccco2)CCCCc2ccccc21
InChIInChI=1S/C16H18O2/c17-16(12-14-8-5-11-18-14)10-4-3-7-13-6-1-2-9-15(13)16/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2
InChIKeyXDLNYFAIMQYHHZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.44
Rot. Bonds2

About 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 83173134) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID83173134
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccco2)CCCCc2ccccc21
InChIInChI=1S/C16H18O2/c17-16(12-14-8-5-11-18-14)10-4-3-7-13-6-1-2-9-15(13)16/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2
InChIKeyXDLNYFAIMQYHHZ-UHFFFAOYSA-N
XLogP3.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 83173134) is 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(Cc2ccco2)CCCCc2ccccc21.
What is the InChIKey of 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is XDLNYFAIMQYHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-16(12-14-8-5-11-18-14)10-4-3-7-13-6-1-2-9-15(13)16/h1-2,5-6,8-9,11,17H,3-4,7,10,12H2.
What are the key properties of 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 242.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 83173134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).