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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Related Compounds

4,7-Dimethylbenzofuran
CID 33109
(E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid
CID 6366138
(3R,4aR,5R,6R,8aR)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CID 52931823
Furodysinin
CID 360188
6,7-Dihydro-1,5,8-trimethylnaphtho(2,1-b)furan
CID 12314812
4-[(11s,15r)-4,4,7,7-Tetramethyl-16-Oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-Trien-11-Yl]benzoic Acid
CID 118796352
Benzoic acid, 4-[[2-(1,1-dimethylethyl)phenoxy]methyl]-
CID 7745122
2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-
CID 9842758
6-(2-Butyl-benzofuran-3-ylmethyl)-1-iodo-naphthalen-2-ol
CID 9955674
4-(7,7,10,10-Tetramethyl-4,5,8,9-tetrahydronaphtho[2,3-g][1]benzofuran-3-yl)benzoic acid
CID 10023931
(E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5,6,7-tetrahydro-benzofuran-2-yl]-acrylic acid
CID 10135144
9a-Butyl-4-(furan-2-yl)-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
CID 10268080

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).