(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol

C16H22O — CID 130290357

IUPAC(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
SMILESC[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1O
InChIInChI=1S/C16H22O/c1-11-12(2)15(9-10-16(17)13(11)3)14-7-5-4-6-8-14/h4-9,11-13,16-17H,10H2,1-3H3/t11-,12+,13-,16-/m1/s1
InChIKeyIEWHRYFPGIAHLM-OQMKEHIESA-N
MW230.35 g/mol
LogP3.74
Rot. Bonds1

About (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol

(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol (PubChem CID 130290357) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol.

Molecular Properties

Compound Name(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
PubChem CID130290357
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol
SMILESC[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1O
InChIInChI=1S/C16H22O/c1-11-12(2)15(9-10-16(17)13(11)3)14-7-5-4-6-8-14/h4-9,11-13,16-17H,10H2,1-3H3/t11-,12+,13-,16-/m1/s1
InChIKeyIEWHRYFPGIAHLM-OQMKEHIESA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol?
The IUPAC name of (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol (CID 130290357) is (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol.
What is the SMILES notation for (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol?
The canonical SMILES for (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol is C[C@@H]1[C@H](C)[C@H](C)C(c2ccccc2)=CC[C@H]1O.
What is the InChIKey of (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol?
The InChIKey is IEWHRYFPGIAHLM-OQMKEHIESA-N. The full InChI is InChI=1S/C16H22O/c1-11-12(2)15(9-10-16(17)13(11)3)14-7-5-4-6-8-14/h4-9,11-13,16-17H,10H2,1-3H3/t11-,12+,13-,16-/m1/s1.
What are the key properties of (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol?
(1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7R)-5,6,7-trimethyl-4-phenylcyclohept-3-en-1-ol is sourced from PubChem (CID 130290357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).