2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol

C17H18O — CID 18930041

IUPAC2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCc1cc(C2CCCc3ccccc32)ccc1O
InChIInChI=1S/C17H18O/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16,18H,4,6,8H2,1H3
InChIKeyQOMRMUPQPCIQMI-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.17
Rot. Bonds1

About 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol (PubChem CID 18930041) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
PubChem CID18930041
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCc1cc(C2CCCc3ccccc32)ccc1O
InChIInChI=1S/C17H18O/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16,18H,4,6,8H2,1H3
InChIKeyQOMRMUPQPCIQMI-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The IUPAC name of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol (CID 18930041) is 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol.
What is the SMILES notation for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The canonical SMILES for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol is Cc1cc(C2CCCc3ccccc32)ccc1O.
What is the InChIKey of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The InChIKey is QOMRMUPQPCIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16,18H,4,6,8H2,1H3.
What are the key properties of 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol has a molecular weight of 238.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol is sourced from PubChem (CID 18930041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).