(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone

C14H14O2 — CID 154355270

IUPAC(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1(O)C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C14H14O2/c1-14(16)10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12,16H,1H3
InChIKeyVLGNTAHJZQOHJE-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.36
Rot. Bonds2

About (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone

(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 154355270) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID154355270
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1(O)C=CC=CC1C(=O)c1ccccc1
InChIInChI=1S/C14H14O2/c1-14(16)10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12,16H,1H3
InChIKeyVLGNTAHJZQOHJE-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 154355270) is (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone is CC1(O)C=CC=CC1C(=O)c1ccccc1.
What is the InChIKey of (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is VLGNTAHJZQOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-14(16)10-6-5-9-12(14)13(15)11-7-3-2-4-8-11/h2-10,12,16H,1H3.
What are the key properties of (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 214.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 154355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).