6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol

C18H20O2 — CID 68731128

IUPAC6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCc1cc(O)ccc1C1CCCc2cc(O)ccc2C1
InChIInChI=1S/C18H20O2/c1-12-9-16(19)7-8-18(12)15-4-2-3-13-11-17(20)6-5-14(13)10-15/h5-9,11,15,19-20H,2-4,10H2,1H3
InChIKeyFLYGNTBMBSGKGV-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.07
Rot. Bonds1

About 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol

6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (PubChem CID 68731128) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
PubChem CID68731128
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCc1cc(O)ccc1C1CCCc2cc(O)ccc2C1
InChIInChI=1S/C18H20O2/c1-12-9-16(19)7-8-18(12)15-4-2-3-13-11-17(20)6-5-14(13)10-15/h5-9,11,15,19-20H,2-4,10H2,1H3
InChIKeyFLYGNTBMBSGKGV-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-3-methylphenol;2-methylphenol
CID 157234017
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 104961917
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
CID 156814350
N-[2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methoxyphenyl]acetamide
CID 154681620
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
6-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437540
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The IUPAC name of 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (CID 68731128) is 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.
What is the SMILES notation for 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The canonical SMILES for 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is Cc1cc(O)ccc1C1CCCc2cc(O)ccc2C1.
What is the InChIKey of 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The InChIKey is FLYGNTBMBSGKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-9-16(19)7-8-18(12)15-4-2-3-13-11-17(20)6-5-14(13)10-15/h5-9,11,15,19-20H,2-4,10H2,1H3.
What are the key properties of 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol has a molecular weight of 268.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is sourced from PubChem (CID 68731128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).