(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol

C12H14O2 — CID 19841217

IUPAC(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
SMILESCOc1cc2c(cc1CO)C=CCC2
InChIInChI=1S/C12H14O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-7,13H,3,5,8H2,1H3
InChIKeyIBSRDQHCCZIRTE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.15
Rot. Bonds2

About (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol

(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol (PubChem CID 19841217) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
PubChem CID19841217
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol
SMILESCOc1cc2c(cc1CO)C=CCC2
InChIInChI=1S/C12H14O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-7,13H,3,5,8H2,1H3
InChIKeyIBSRDQHCCZIRTE-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol?
The IUPAC name of (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol (CID 19841217) is (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol.
What is the SMILES notation for (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol?
The canonical SMILES for (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol is COc1cc2c(cc1CO)C=CCC2.
What is the InChIKey of (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol?
The InChIKey is IBSRDQHCCZIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2,4,6-7,13H,3,5,8H2,1H3.
What are the key properties of (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol?
(3-methoxy-5,6-dihydronaphthalen-2-yl)methanol has a molecular weight of 190.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5,6-dihydronaphthalen-2-yl)methanol is sourced from PubChem (CID 19841217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).