4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol

C16H16O — CID 93476534

IUPAC4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
SMILESOc1ccc([C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16-17H,3,5,7H2/t16-/m0/s1
InChIKeyXYMDDBCMZHMKKX-INIZCTEOSA-N
MW224.30 g/mol
LogP3.86
Rot. Bonds1

About 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol

4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol (PubChem CID 93476534) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol.

Molecular Properties

Compound Name4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
PubChem CID93476534
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
SMILESOc1ccc([C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16-17H,3,5,7H2/t16-/m0/s1
InChIKeyXYMDDBCMZHMKKX-INIZCTEOSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 18930041
1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
CID 22613084
2-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 13136042
3-methyl-2,4-dioxo-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]butanoic acid
CID 20535220
1-(2,3-dihydro-1H-inden-5-yl)-2,3-dihydro-1H-indene
CID 173404050
5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole
CID 125485932
acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
CID 142409210
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428
4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 15629688
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The IUPAC name of 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol (CID 93476534) is 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol.
What is the SMILES notation for 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The canonical SMILES for 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol is Oc1ccc([C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
The InChIKey is XYMDDBCMZHMKKX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16-17H,3,5,7H2/t16-/m0/s1.
What are the key properties of 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol?
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol has a molecular weight of 224.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol is sourced from PubChem (CID 93476534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).