1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol

C19H26O2 — CID 83148133

IUPAC1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
SMILESCOc1ccc2cccc(CC(O)CCCC(C)C)c2c1
InChIInChI=1S/C19H26O2/c1-14(2)6-4-9-17(20)12-16-8-5-7-15-10-11-18(21-3)13-19(15)16/h5,7-8,10-11,13-14,17,20H,4,6,9,12H2,1-3H3
InChIKeyBEZQSJWYIDNFDI-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.58
Rot. Bonds7

About 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol

1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol (PubChem CID 83148133) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
PubChem CID83148133
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
SMILESCOc1ccc2cccc(CC(O)CCCC(C)C)c2c1
InChIInChI=1S/C19H26O2/c1-14(2)6-4-9-17(20)12-16-8-5-7-15-10-11-18(21-3)13-19(15)16/h5,7-8,10-11,13-14,17,20H,4,6,9,12H2,1-3H3
InChIKeyBEZQSJWYIDNFDI-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
CID 115506156
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
CID 115506237
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
CID 115506132
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
[5-methoxy-1-(7-methoxynaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105260335
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol (CID 83148133) is 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol is COc1ccc2cccc(CC(O)CCCC(C)C)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol?
The InChIKey is BEZQSJWYIDNFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(2)6-4-9-17(20)12-16-8-5-7-15-10-11-18(21-3)13-19(15)16/h5,7-8,10-11,13-14,17,20H,4,6,9,12H2,1-3H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol?
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol is sourced from PubChem (CID 83148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).