(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H18O2 — CID 129391570

IUPAC(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc(-c2ccc3c(c2)CCC[C@@H]3O)c1
InChIInChI=1S/C17H18O2/c1-19-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)18/h2,4,6,8-11,17-18H,3,5,7H2,1H3/t17-/m0/s1
InChIKeyRLRJQQXNBNDOQR-KRWDZBQOSA-N
MW254.33 g/mol
LogP3.73
Rot. Bonds2

About (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 129391570) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID129391570
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cccc(-c2ccc3c(c2)CCC[C@@H]3O)c1
InChIInChI=1S/C17H18O2/c1-19-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)18/h2,4,6,8-11,17-18H,3,5,7H2,1H3/t17-/m0/s1
InChIKeyRLRJQQXNBNDOQR-KRWDZBQOSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
6-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410358
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410311
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410347
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976505
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55032419
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 129391570) is (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cccc(-c2ccc3c(c2)CCC[C@@H]3O)c1.
What is the InChIKey of (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RLRJQQXNBNDOQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)18/h2,4,6,8-11,17-18H,3,5,7H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 129391570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).