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

C17H18O — CID 15629688

IUPAC4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCC1Cc2ccccc2C(c2ccc(O)cc2)C1
InChIInChI=1S/C17H18O/c1-12-10-14-4-2-3-5-16(14)17(11-12)13-6-8-15(18)9-7-13/h2-9,12,17-18H,10-11H2,1H3
InChIKeyBPPWBDUWDXYWDU-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.11
Rot. Bonds1

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

4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol (PubChem CID 15629688) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
PubChem CID15629688
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
SMILESCC1Cc2ccccc2C(c2ccc(O)cc2)C1
InChIInChI=1S/C17H18O/c1-12-10-14-4-2-3-5-16(14)17(11-12)13-6-8-15(18)9-7-13/h2-9,12,17-18H,10-11H2,1H3
InChIKeyBPPWBDUWDXYWDU-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The IUPAC name of 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol (CID 15629688) is 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol.
What is the SMILES notation for 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The canonical SMILES for 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol is CC1Cc2ccccc2C(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
The InChIKey is BPPWBDUWDXYWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-10-14-4-2-3-5-16(14)17(11-12)13-6-8-15(18)9-7-13/h2-9,12,17-18H,10-11H2,1H3.
What are the key properties of 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol?
4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol has a molecular weight of 238.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol is sourced from PubChem (CID 15629688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).