7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol

C16H16O2 — CID 57430873

IUPAC7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol
SMILESCc1cc(O)c2c(c1)C=CC(C)(c1ccoc1)C2
InChIInChI=1S/C16H16O2/c1-11-7-12-3-5-16(2,13-4-6-18-10-13)9-14(12)15(17)8-11/h3-8,10,17H,9H2,1-2H3
InChIKeyBGRYWKAFCHHCHM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.82
Rot. Bonds1

About 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol

7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol (PubChem CID 57430873) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol.

Molecular Properties

Compound Name7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol
PubChem CID57430873
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol
SMILESCc1cc(O)c2c(c1)C=CC(C)(c1ccoc1)C2
InChIInChI=1S/C16H16O2/c1-11-7-12-3-5-16(2,13-4-6-18-10-13)9-14(12)15(17)8-11/h3-8,10,17H,9H2,1-2H3
InChIKeyBGRYWKAFCHHCHM-UHFFFAOYSA-N
XLogP3.82
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol?
The IUPAC name of 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol (CID 57430873) is 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol.
What is the SMILES notation for 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol?
The canonical SMILES for 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol is Cc1cc(O)c2c(c1)C=CC(C)(c1ccoc1)C2.
What is the InChIKey of 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol?
The InChIKey is BGRYWKAFCHHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-7-12-3-5-16(2,13-4-6-18-10-13)9-14(12)15(17)8-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol?
7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol has a molecular weight of 240.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-yl)-3,7-dimethyl-8H-naphthalen-1-ol is sourced from PubChem (CID 57430873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).