3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol

C17H18O — CID 167878538

IUPAC3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol
SMILESCc1cc(O)ccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18O/c1-12-10-16(18)8-9-17(12)15-7-6-13-4-2-3-5-14(13)11-15/h6-11,18H,2-5H2,1H3
InChIKeyIVGNFVQUBQUIOH-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.25
Rot. Bonds1

About 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol

3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol (PubChem CID 167878538) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol
PubChem CID167878538
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol
SMILESCc1cc(O)ccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18O/c1-12-10-16(18)8-9-17(12)15-7-6-13-4-2-3-5-14(13)11-15/h6-11,18H,2-5H2,1H3
InChIKeyIVGNFVQUBQUIOH-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol (CID 167878538) is 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol.
What is the SMILES notation for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The canonical SMILES for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol is Cc1cc(O)ccc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
The InChIKey is IVGNFVQUBQUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-10-16(18)8-9-17(12)15-7-6-13-4-2-3-5-14(13)11-15/h6-11,18H,2-5H2,1H3.
What are the key properties of 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol?
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol has a molecular weight of 238.33 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol is sourced from PubChem (CID 167878538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).