5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H18O2 — CID 162650948

IUPAC5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc(CC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H18O2/c18-15-6-4-12(5-7-15)10-13-2-1-3-14-11-16(19)8-9-17(13)14/h4-9,11,13,18-19H,1-3,10H2
InChIKeyXBHWWSRMBBXSCG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.76
Rot. Bonds2

About 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 162650948) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID162650948
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc(CC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H18O2/c18-15-6-4-12(5-7-15)10-13-2-1-3-14-11-16(19)8-9-17(13)14/h4-9,11,13,18-19H,1-3,10H2
InChIKeyXBHWWSRMBBXSCG-UHFFFAOYSA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(5R)-5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
CID 125487195
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15029809
5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 118531309
6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11623142
2,6-bis[(4-hydroxyphenyl)methyl]cyclohexan-1-one
CID 139768733

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 162650948) is 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc(CC2CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XBHWWSRMBBXSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-15-6-4-12(5-7-15)10-13-2-1-3-14-11-16(19)8-9-17(13)14/h4-9,11,13,18-19H,1-3,10H2.
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 254.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 162650948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).