(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol

C10H16O — CID 556567

IUPAC(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC(C)C1=CC=C(CO)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyHBKLKBUNCSHWKO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

About (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol

(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 556567) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID556567
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC(C)C1=CC=C(CO)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyHBKLKBUNCSHWKO-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol (CID 556567) is (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol is CC(C)C1=CC=C(CO)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is HBKLKBUNCSHWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8,11H,4,6-7H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol?
(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 556567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).