4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol

C22H30O2 — CID 3036448

IUPAC4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol
SMILESCCCC/C(=C(\CCCC)C1C=CC(O)=CC1)c1ccc(O)cc1
InChIInChI=1S/C22H30O2/c1-3-5-7-21(17-9-13-19(23)14-10-17)22(8-6-4-2)18-11-15-20(24)16-12-18/h9-11,13-16,18,23-24H,3-8,12H2,1-2H3/b22-21-
InChIKeyNQAUIXWEWHWTQZ-DQRAZIAOSA-N
MW326.48 g/mol
LogP6.54
Rot. Bonds8

About 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol

4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol (PubChem CID 3036448) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol
PubChem CID3036448
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol
SMILESCCCC/C(=C(\CCCC)C1C=CC(O)=CC1)c1ccc(O)cc1
InChIInChI=1S/C22H30O2/c1-3-5-7-21(17-9-13-19(23)14-10-17)22(8-6-4-2)18-11-15-20(24)16-12-18/h9-11,13-16,18,23-24H,3-8,12H2,1-2H3/b22-21-
InChIKeyNQAUIXWEWHWTQZ-DQRAZIAOSA-N
XLogP6.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol?
The IUPAC name of 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol (CID 3036448) is 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol.
What is the SMILES notation for 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol?
The canonical SMILES for 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol is CCCC/C(=C(\CCCC)C1C=CC(O)=CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol?
The InChIKey is NQAUIXWEWHWTQZ-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H30O2/c1-3-5-7-21(17-9-13-19(23)14-10-17)22(8-6-4-2)18-11-15-20(24)16-12-18/h9-11,13-16,18,23-24H,3-8,12H2,1-2H3/b22-21-.
What are the key properties of 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol?
4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol has a molecular weight of 326.48 g/mol, XLogP of 6.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-6-(4-hydroxycyclohexa-2,4-dien-1-yl)dec-5-en-5-yl]phenol is sourced from PubChem (CID 3036448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).