2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C12H16O3 — CID 105461731

IUPAC2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CCC(O)(CO)C2
InChIInChI=1S/C12H16O3/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeyCHLWKTXELVZEJJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 105461731) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID105461731
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CCC(O)(CO)C2
InChIInChI=1S/C12H16O3/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeyCHLWKTXELVZEJJ-UHFFFAOYSA-N
XLogP0.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
1-(6-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152309

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 105461731) is 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CCC(O)(CO)C2.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is CHLWKTXELVZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,13-14H,4-5,7-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 208.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 105461731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).